Information card for entry 1506621

Structure parameters

• Formula: C19 H23 N O
• Calculated formula: C19 H23 N O
• SMILES: [C@H](O)(c1ccccc1)[C@@H]1N(C(C)(C)C)[C@@H]1c1ccccc1.[C@@H](O)(c1ccccc1)[C@H]1N(C(C)(C)C)[C@H]1c1ccccc1
• Title of publication: Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.
• Authors of publication: Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3267 - 3270
• a: 12.564 ± 0.001 Å
• b: 17.312 ± 0.002 Å
• c: 15.925 ± 0.001 Å
• α: 90°
• β: 93.98 ± 0.01°
• γ: 90°
• Cell volume: 3455.5 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No